3-butyl-8-(3-fluorophenyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-fluorophenyl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-fluorophenyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(3-fluorophenyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-fluorophenyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(3-fluorophenyl)-7-methyl-xanthine Formula: C16H17FN4O2 MolecularWeight: 316.330183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C16H17FN4O2/c1-3-4-8-21-14-12(15(22)19-16(21)23)20(2)13(18-14)10-6-5-7-11(17)9-10/h5-7,9H,3-4,8H2,1-2H3,(H,19,22,23)